2-pent-4-en-2-yloxirane

C7H12O — CID 15117848

IUPAC2-pent-4-en-2-yloxirane
SMILESC=CCC(C)C1CO1
InChIInChI=1S/C7H12O/c1-3-4-6(2)7-5-8-7/h3,6-7H,1,4-5H2,2H3
InChIKeyGJYQBKGLEHZJAB-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds3

About 2-pent-4-en-2-yloxirane

2-pent-4-en-2-yloxirane (PubChem CID 15117848) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-pent-4-en-2-yloxirane.

Molecular Properties

Compound Name2-pent-4-en-2-yloxirane
PubChem CID15117848
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-pent-4-en-2-yloxirane
SMILESC=CCC(C)C1CO1
InChIInChI=1S/C7H12O/c1-3-4-6(2)7-5-8-7/h3,6-7H,1,4-5H2,2H3
InChIKeyGJYQBKGLEHZJAB-UHFFFAOYSA-N
XLogP1.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-pent-4-en-2-yloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-en-2-yloxirane?
The IUPAC name of 2-pent-4-en-2-yloxirane (CID 15117848) is 2-pent-4-en-2-yloxirane.
What is the SMILES notation for 2-pent-4-en-2-yloxirane?
The canonical SMILES for 2-pent-4-en-2-yloxirane is C=CCC(C)C1CO1.
What is the InChIKey of 2-pent-4-en-2-yloxirane?
The InChIKey is GJYQBKGLEHZJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-6(2)7-5-8-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-pent-4-en-2-yloxirane?
2-pent-4-en-2-yloxirane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-en-2-yloxirane is sourced from PubChem (CID 15117848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).